methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate

C19H22N2O3 — CID 42778769

IUPACmethyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate
SMILESCCCCN(Cc1ccccn1)C(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C19H22N2O3/c1-3-4-13-21(14-15-9-7-8-12-20-15)18(22)16-10-5-6-11-17(16)19(23)24-2/h5-12H,3-4,13-14H2,1-2H3
InChIKeyHGSYGJLLZMQWPL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.31
Rot. Bonds7

About methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate

methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate (PubChem CID 42778769) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate
PubChem CID42778769
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate
SMILESCCCCN(Cc1ccccn1)C(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C19H22N2O3/c1-3-4-13-21(14-15-9-7-8-12-20-15)18(22)16-10-5-6-11-17(16)19(23)24-2/h5-12H,3-4,13-14H2,1-2H3
InChIKeyHGSYGJLLZMQWPL-UHFFFAOYSA-N
XLogP3.31
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentyl-N-(pyridin-2-ylmethyl)acetamide
CID 46206176
1-butyl-3-(2-methylsulfonylethyl)-1-(pyridin-2-ylmethyl)urea
CID 122562929
2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052507
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
2-ethoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084459
N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745
N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 74232629
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518361
3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113115749
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673

Frequently Asked Questions

What is the IUPAC name of methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate?
The IUPAC name of methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate (CID 42778769) is methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate is CCCCN(Cc1ccccn1)C(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate?
The InChIKey is HGSYGJLLZMQWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-4-13-21(14-15-9-7-8-12-20-15)18(22)16-10-5-6-11-17(16)19(23)24-2/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate?
methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate has a molecular weight of 326.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate is sourced from PubChem (CID 42778769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).